Compound Identification
SMILES
CC1=CC=C(C=C1)C(CS([OH+]S(=O)(=O)C1=CC=C(C)C=C1)(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1)=C(C#N)C#N
InChIKey
InChIKey=BGWOJLLEDXFXBQ-UHFFFAOYSA-O
Formula
C31H25F2N2O3S2
Mass
575.67
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzenesulfonic acids and derivatives
- Level 5 p-Methylbenzenesulfonates
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Subclass
Benzenesulfonic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
p-Methylbenzenesulfonates
Alternative Parents
Tosyl compounds Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Fluorobenzenes Aryl fluorides Sulfonyls Nitriles Organofluorides Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Fluorobenzene - Halobenzene - Toluene - Aryl fluoride - Aryl halide - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Carbonitrile - Nitrile - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organosulfur compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position.
External Descriptors
Not available